ChemSpider 2D Image | N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-[2-(isopropylamino)-2-oxoethyl]-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-(2-methyl-2-propanyl)benzamide | C30H43N3O4S

N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-[2-(isopropylamino)-2-oxoethyl]-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-(2-methyl-2-propanyl)benzamide

  • Molecular FormulaC30H43N3O4S
  • Average mass541.745 Da
  • Monoisotopic mass541.297424 Da
  • ChemSpider ID5477876

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-[2-(isopropylamino)-2-oxoethyl]-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4-[2-(isopropylamino)-2-oxoethyl]-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxyméthyl)-4-[2-(isopropylamino)-2-oxoéthyl]-4a,8-diméthyl-4,4a,5,6,7,8,8a,9-octahydronaphto[2,3-d][1,3]thiazol-2-yl}-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC Name]
Naphtho[2,3-d]thiazole-4-acetamide, 2-[[4-(1,1-dimethylethyl)benzoyl]amino]-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-N-(1-methylethyl)-, (4S,4aR,7R,8R,8aS)- [ACD/Index Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC04222337 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1878.19
ACD/KOC (pH 5.5): 7634.95
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 873.18
ACD/KOC (pH 7.4): 3549.53
Polar Surface Area: 140 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 458.6±3.0 cm3

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